1-[2-(4-Methylpiperazin-1-yl)phenyl]methanamine

Base Information

• Chemical Name: 1-[2-(4-Methylpiperazin-1-yl)phenyl]methanamine
• CAS No.: 655256-68-1
• Molecular Formula: C12H19N3
• Molecular Weight: 205.303
• Hs Code.: 2933599090
• European Community (EC) Number: 638-890-3
• DSSTox Substance ID: DTXSID40383788
• Wikidata: Q72495681
• Mol file: 655256-68-1.mol

Synonyms:655256-68-1;1-[2-(4-Methylpiperazin-1-yl)phenyl]methanamine;1-(2-Aminomethyl)phenyl-4-methylpiperazine;(2-(4-methylpiperazin-1-yl)phenyl)methanamine;[2-(4-methylpiperazin-1-yl)phenyl]methanamine;Benzenemethanamine, 2-(4-methyl-1-piperazinyl)-;MFCD04970994;[2-(4-Methyl-1-piperazinyl)phenyl]methanamine;SCHEMBL110927;DTXSID40383788;GRSJANZWLLXZFG-UHFFFAOYSA-N;AMY20020;STK350937;AKOS000261381;PS-3674;[2-(4-Methylpiperazin-1-yl)phenyl]methylamine, 1-(2-Aminomethyl)phenyl-4-methylpiperazine;2-(4-methyl-piperazin-1-yl)-benzylamine;SY002968;A8885;BB 0255055;CS-0206642;FT-0647877;2-(4-Methyl-1-piperazinyl)benzenemethanamine;EN300-69191;[2-(4-Methylpiperazin-1-yl)phenyl]methylamine;J-504087;1-[2-(4-methylpiperazin-1-yl)phenyl]methanamine, AldrichCPR

Chemical Property of 1-[2-(4-Methylpiperazin-1-yl)phenyl]methanamine

Chemical Property:

• Vapor Pressure: 0.000104mmHg at 25°C
• Refractive Index: 1.569
• Boiling Point: 337.6 °C at 760 mmHg
• Flash Point: 155.7 °C
• PSA: 32.50000
• Density: 1.065 g/cm³
• LogP: 1.60030
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 205.157897619
• Heavy Atom Count: 15
• Complexity: 187

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-(2-Aminomethyl)phenyl-4-methylpiperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 21/22-34
• Safety Statements: 23-26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=CC=CC=C2CN

Technology Process of 1-[2-(4-Methylpiperazin-1-yl)phenyl]methanamine

There total 2 articles about 1-[2-(4-Methylpiperazin-1-yl)phenyl]methanamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

2-(4-methylpiperazin-1-yl)benzaldehyde (85803-62-9) → (2-(4-methylpiperazin-1-yl)phenyl)methanamine (655256-68-1)

Guidance literature:

2-(4-methylpiperazin-1-yl)benzaldehyde; With pyridine; hydroxylamine hydrochloride; at 20 - 95 ℃; for 24h;

With lithium aluminium tetrahydride; In tetrahydrofuran; for 3h; Heating / reflux;

With water; sodium sulfate; In tetrahydrofuran;

Reference yield:

2-(4-methylpiperazin-1-yl)benzonitrile (85803-63-0) → (2-(4-methylpiperazin-1-yl)phenyl)methanamine (655256-68-1)

Guidance literature:

With ammonia; hydrogen; palladium 10% on activated carbon; In ethanol; at 80 ℃; for 24h; under 15001.5 Torr;

Reference yield: 63.0%

4,5-dichloro-2-methyl-3(2H)-pyridazinone (933-76-6) + (2-(4-methylpiperazin-1-yl)phenyl)methanamine (655256-68-1) → 4-chloro-2-methyl-5-((2-(4-methylpiperazin-1-yl)benzyl)amino)pyridazin-3(2H)-one

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 120 ℃; for 1h; Microwave irradiation;

DOI:10.1021/acs.jmedchem.0c00075

upstream raw materials:

2-(4-methylpiperazin-1-yl)benzonitrile

2-(4-methylpiperazin-1-yl)benzaldehyde

Downstream raw materials:

4-chloro-6-[2-(4-methyl-piperazin-1-yl)-benzylamino]-2H-phthalazin-1-one

7-bromo-N-(2-methyl-5-(2-(4-methylpiperazin-1-yl)benzylcarbamoyl)phenyl)imidazo[1,2-a]pyridine-3-carboxamide

3-amino-4-methyl-N-(2-(4-methylpiperazin-1-yl)benzyl)benzamide

5-amino-2-fluoro-4-methyl-N-(2-(4-methylpiperazin-1-yl )benzyl)benzamide

Refernces

• 1、 -. "PIPERAZINYLPHENALKYL LACTAM/AMINE LIGANDS FOR THE 5HT1B RECEPTOR". Page/Page column 73. . Retrieved 2010/11/30.